1-(2,4-dimethylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea

C23H20N4O2 — CID 50830004

IUPAC1-(2,4-dimethylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
SMILESCc1ccc(NC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)c(C)c1
InChIInChI=1S/C23H20N4O2/c1-15-11-12-20(16(2)13-15)25-23(28)24-19-10-6-9-18(14-19)22-27-26-21(29-22)17-7-4-3-5-8-17/h3-14H,1-2H3,(H2,24,25,28)
InChIKeyMNWHINDEAJJDIF-UHFFFAOYSA-N
MW384.44 g/mol
LogP5.66
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea

1-(2,4-dimethylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea (PubChem CID 50830004) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
PubChem CID50830004
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name1-(2,4-dimethylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
SMILESCc1ccc(NC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)c(C)c1
InChIInChI=1S/C23H20N4O2/c1-15-11-12-20(16(2)13-15)25-23(28)24-19-10-6-9-18(14-19)22-27-26-21(29-22)17-7-4-3-5-8-17/h3-14H,1-2H3,(H2,24,25,28)
InChIKeyMNWHINDEAJJDIF-UHFFFAOYSA-N
XLogP5.66
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-dimethylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 46387996
1-(2-methoxy-5-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 50829918
1-(3-chloro-4-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 46387989
1-(2,4-dimethylphenyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 46361374
methyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoylamino]benzoate
CID 46387997
1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 46388056
[3-[(2,4-dimethylphenyl)carbamoylamino]phenyl] acetate
CID 108865160
1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)urea
CID 6469067
N-[(2,4-dimethylphenyl)carbamoyl]-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7417136
2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide
CID 17359293
1-(3-chloro-2-methylphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 46384272
methyl 3-[(2,4-dimethylphenyl)carbamoylamino]benzoate
CID 108991298

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea (CID 50830004) is 1-(2,4-dimethylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea is Cc1ccc(NC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
The InChIKey is MNWHINDEAJJDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-15-11-12-20(16(2)13-15)25-23(28)24-19-10-6-9-18(14-19)22-27-26-21(29-22)17-7-4-3-5-8-17/h3-14H,1-2H3,(H2,24,25,28).
What are the key properties of 1-(2,4-dimethylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
1-(2,4-dimethylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea has a molecular weight of 384.44 g/mol, XLogP of 5.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea is sourced from PubChem (CID 50830004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).